CID 61252399

4-hydroxy-1-(pyrimidin-4-yl)pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1C(CN(C1C(=O)O)C2=NC=NC=C2)O
InChI
InChI=1S/C9H11N3O3/c13-6-3-7(9(14)15)12(4-6)8-1-2-10-5-11-8/h1-2,5-7,13H,3-4H2,(H,14,15)
InChIKey
WSMJKBXOBIAVKU-UHFFFAOYSA-N
Compound name
4-hydroxy-1-pyrimidin-4-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 144.4
[M+Na]+ 232.06927 151.7
[M-H]- 208.07277 144.7
[M+NH4]+ 227.11387 159.2
[M+K]+ 248.04321 149.0
[M+H-H2O]+ 192.07731 136.2
[M+HCOO]- 254.07825 161.1
[M+CH3COO]- 268.09390 179.4
[M+Na-2H]- 230.05472 146.9
[M]+ 209.07950 141.2
[M]- 209.08060 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.